CID 116490

Usaf el-71

Structural Information

Molecular Formula
C7H16N4S3
SMILES
C(CSCCSC(=N)N)CSC(=N)N
InChI
InChI=1S/C7H16N4S3/c8-6(9)13-3-1-2-12-4-5-14-7(10)11/h1-5H2,(H3,8,9)(H3,10,11)
InChIKey
GNLAMDCMIKKNGP-UHFFFAOYSA-N
Compound name
3-(2-carbamimidoylsulfanylethylsulfanyl)propyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.05371 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06099 148.7
[M+Na]+ 275.04293 151.1
[M-H]- 251.04643 145.2
[M+NH4]+ 270.08753 163.1
[M+K]+ 291.01687 143.2
[M+H-H2O]+ 235.05097 140.5
[M+HCOO]- 297.05191 153.9
[M+CH3COO]- 311.06756 201.1
[M+Na-2H]- 273.02838 146.9
[M]+ 252.05316 143.6
[M]- 252.05426 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.